2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride supplier

Name
(2,4-DIAMINOPTERIDIN-6-YL)METHANOL HYDROCHLORIDE HYDRATE
EINECS 213-412-2
CAS No. 73978-41-3
Article Data3
CAS DataBase
Density
Solubility 10g/L at 20℃
Melting Point 220ºC(lit.)
Formula C₇H₉ClN₆O
Boiling Point 560.2 °C at 760 mmHg
Molecular Weight 228.641
Flash Point 292.6 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38-36-22
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms 6-Pteridinemethanol,2,4-diamino-, monohydrochloride (9CI);2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride;2,4-Diaminopyrimido[4,5-b]pyrazine-6-methanol monohydrochloride;
PSA 123.83000
LogP 1.04090

Synthetic route

: 1004-74-6
2,4,5,6-tetraaminopyrimidine

: 96-26-4
dihydroxyacetone

: 73978-41-3
2,4-diamino-6-(hydroxymethyl)pteridine hydrochloride

Conditions

Conditions	Yield
With oxygen; DL-cysteine hydrochloride; ammonium chloride In water for 36h;	70%

: 96-26-4
dihydroxyacetone

: 5392-28-9
2,4,5,6-tetraaminopyrimidine sulfate

: 73978-41-3
2,4-diamino-6-(hydroxymethyl)pteridine hydrochloride

Conditions

Conditions	Yield
With ammonium hydroxide; l-cysteine hydrochloride; oxygen; ammonium chloride; barium(II) chloride 1.) H2O, 90 deg C, 15 min, 2.) H2O, RT, 45 h; Yield given. Multistep reaction;

: 62147-49-3
1,3-dihydroxyacetone dimer

: barium chloride dihydrate

: 2,4,5,6-tetraminopyrimidine sulfate monohydrate

: 10318-18-0
DL-cysteine hydrochloride

: 73978-41-3
2,4-diamino-6-(hydroxymethyl)pteridine hydrochloride

Conditions

Conditions	Yield
With ammonium chloride In water	17.2 g (45%)

...Expand

2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride Specification

This chemical is called 6-Pteridinemethanol,2,4-diamino-, hydrochloride (1:1), and its systematic name is (2,4-diaminopteridin-6-yl)methanol hydrochloride. With the molecular formula of C₇H₉ClN₆O, its molecular weight is 246.64. The CAS registry number of this chemical is 73978-41-3.

Other characteristics of the 6-Pteridinemethanol,2,4-diamino-, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: -1.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.53; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.12; (8)ACD/KOC (pH 7.4): 4.02; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.27 Å²; (13)Flash Point: 292.6 °C; (14)Enthalpy of Vaporization: 88.67 kJ/mol; (15)Boiling Point: 560.2 °C at 760 mmHg; (16)Vapour Pressure: 2.19E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.n1c2c(ncc1CO)nc(nc2N)N
2.InChI: InChI=1/C7H8N6O.ClH/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;/h1,14H,2H2,(H4,8,9,10,12,13);1H
3.InChIKey: XZHMPUJCSYVIQL-UHFFFAOYAU

Product Name

(2,4-DIAMINOPTERIDIN-6-YL)METHANOL HYDROCHLORIDE HYDRATE

Synthetic route

2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride Specification

Related Products

Hot Products